./iterations/neb0_image02_iter260.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.458126955047 0.264609899194 0.489671464683} O1 1 1
14 {} {0.326765674989 0.240252735353 0.584216935657} Si1 2 1
14 {} {0.583848983899 0.349055639282 0.427990228551} Si2 3 1
8 {} {0.532041107658 0.49191205999 0.366186257186} O2 4 1
8 {} {0.31184297181 0.356405017144 0.699020695878} O3 5 1
14 {} {0.243996862687 0.503015850515 0.731990485557} Si3 6 1
14 {} {0.561566589431 0.653921580265 0.357185129562} Si4 7 1
1 {} {0.344513915873 0.110333050439 0.653841109405} H1 8 1
1 {} {0.206061805911 0.239546059374 0.497475458102} H2 9 1
1 {} {0.642126410015 0.268286219655 0.318109576737} H3 10 1
1 {} {0.682223877934 0.37684027967 0.536255432543} H4 11 1
1 {} {0.0978729862155 0.486628500789 0.748469253448} H5 12 1
1 {} {0.311580681626 0.553850157201 0.854381151199} H6 13 1
1 {} {0.435802709605 0.72006716376 0.311658027725} H7 14 1
1 {} {0.672527080736 0.681637001516 0.261651135799} H8 15 1
1 {} {0.600154978869 0.707627093029 0.491541054868} H10 16 1
8 {} {0.258423135481 0.609125436142 0.606432307993} O 17 1
1 {} {0.340609582688 0.659404382327 0.594982201174} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end